SCHEMBL29328913

SCHEMBL29328913

N=C(N)/C=C(/Cc1ccc(F)cn1)Nc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.34
CDK2 P24941 1/20 0.34
NR3C1 P04150 1/20 0.33
IDO1 P14902 1/20 0.33
CNR1 P21554 1/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TGM2 P21980 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29328949 0.87 CXCR2 (0.34) ALDH1A1GAACDK2NR3C1CXCR1
SCHEMBL14826652 0.67 ALDH1A1 (0.48) ALDH1A1GAAIDO1RAB9ASMN1; SMN2
SCHEMBL14750065 0.67 ALDH1A1 (0.48) ALDH1A1GAAIDO1KMT2ATGM2
SCHEMBL12986732 0.67 RAB9A (0.40) RAB9A
Formic Acid SCHEMBL29658579 0.65 RAB9A (0.36) RAB9A
SCHEMBL4029597 0.64 ALDH1A1 (0.61) ALDH1A1GAAIDO1RAB9ASMN1; SMN2
SCHEMBL23742179 0.63 AOC3 (0.43) CDK2KMT2A
SCHEMBL28518685 0.63 GAA (0.54) ALDH1A1GAARAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL9957962 0.62 ALDH1A1 (0.59) ALDH1A1GAAIDO1RAB9ASMN1; SMN2
SCHEMBL29535595 0.62 AGBL2 (0.47) RAB9ASMN1; SMN2HTTLMNAP4HTM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed